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Spectrochim Acta A Mol Biomol Spectrosc. 2014 Sep 15;130:105-15. doi: 10.1016/j.saa.2014.03.106. Epub 2014 Apr 13.

Study of inclusion complex between 2,6-dinitrobenzoic acid and β-cyclodextrin by 1H NMR, 2D 1H NMR (ROESY), FT-IR, XRD, SEM and photophysical methods.

Author information

  • 1School of Chemical Sciences, Department of Industrial Chemistry, Alagappa University, Karaikudi 630 003, Tamil Nadu, India.
  • 2School of Chemical Sciences, Department of Industrial Chemistry, Alagappa University, Karaikudi 630 003, Tamil Nadu, India. Electronic address: tstalinphd@rediffmail.com.

Abstract

The formation of host-guest inclusion complex of 2,6-dinitrobenzoic acid (2,6-DNB) with nano-hydrophobic cavity of β-cyclodextrin (β-CD) in solution phase has been studied by UV-visible spectroscopy and electrochemical analysis (cyclic voltammetry, CV). The effect of acid-base concentrations of 2,6-DNB has been studied in presence and absence of β-CD to determination for the ground state acidity constant (pKa). The binding constant of inclusion complex at 303 K was calculated using Benesi-Hildebrand plot and thermodynamic parameter (ΔG) was also calculated. The solid inclusion complex formation between β-CD and 2,6-DNB was confirmed by 1H NMR, 2D 1H NMR (ROESY), FT-IR, XRD and SEM analysis. A schematic representation of this inclusion process was proposed by molecular docking studies using patch dock server.

KEYWORDS:

2,6-Dinitrobenzoic acid; 2D (1)H NMR (ROESY); Inclusion complex; β-Cyclodextrin

PMID:
24769381
DOI:
10.1016/j.saa.2014.03.106
[PubMed - indexed for MEDLINE]
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